Chemical ID: 3990653

c1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2CC(=O)O
Chemical ID:
3990653
Name [?]:
2-(2-phenylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid
SMILES [?]:
c1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2CC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H17NO4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:8.54717
Area:477.954
Solvation:-3.40169
Coulombic:-35.0359
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:331.387
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.31
LogP (Chemaxon):2.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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